N2,N4-bis(1-adamantyl)-6-piperazin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2,N4-bis(1-adamantyl)-6-piperazin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis(1-adamantyl)-6-piperazin-1-yl-pyrimidine-2,4-diamine CAS Name: N2,N4-bis(1-adamantyl)-6-(1-piperazinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis(1-adamantyl)-6-piperazin-1-ylpyrimidine-2,4-diamine Traditional Name: 1-adamantyl-[2-(1-adamantylamino)-6-piperazino-pyrimidin-4-yl]amine Formula: C28H42N6 MolecularWeight: 462.67328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=NC(=N2)NC34CC5CC(C3)CC(C5)C4)NC67CC8CC(C6)CC(C8)C7

Isomeric SMILES

C1CN(CCN1)C2=CC(=NC(=N2)NC34CC5CC(C3)CC(C5)C4)NC67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C28H42N6/c1-3-34(4-2-29-1)25-11-24(32-27-12-18-5-19(13-27)7-20(6-18)14-27)30-26(31-25)33-28-15-21-8-22(16-28)10-23(9-21)17-28/h11,18-23,29H,1-10,12-17H2,(H2,30,31,32,33)